Geometry & MOs

Info

ID:	340502
PubChem CID:	127262513
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	217.085127
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	1.57
IP(EA), eV:	-9.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(benzylamino)-hydroxymethylidene]-1H-imidazol-4-one

Drug info:

PubChemData

Smile

CCC(C)OC(=O)C1=NC=CN1

DOS

IR

Vibrations